CID 7420449

2-(1,3-benzothiazol-2-ylthio)n'-(1-(3,4-dichlorophenyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C17H13Cl2N3OS2
SMILES
C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2S1)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3OS2/c1-10(11-6-7-12(18)13(19)8-11)21-22-16(23)9-24-17-20-14-4-2-3-5-15(14)25-17/h2-8H,9H2,1H3,(H,22,23)/b21-10+
InChIKey
BCVLZWFOSZEDNP-UFFVCSGVSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.9877 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.994976 188.7
[M+Na]+ 431.976918 199.1
[M-H]- 407.980424 196.4
[M+NH4]+ 427.021523 203.7
[M+K]+ 447.950858 191.0
[M+H-H2O]+ 391.984960 183.1
[M+HCOO]- 453.985901 194.8
[M+CH3COO]- 468.001551 199.0
[M+Na-2H]- 429.962366 189.2
[M]+ 408.98715142 197.4
[M]- 408.98824858 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.